[Pw_forum] Hybrid functional calcualtion!
adrainzhou at yahoo.com.cn
Fri Aug 22 01:52:12 CEST 2008
I am trying to run hybrid functional test. When I
changed the number of nqx1,nqx2 and nqx3. The error
information is "k + q is not an S*k " and stopped. I
checked the readme file in the Exx_example. It says
that the vaule of nqx1,nqx2 and nqx3 must be
compatible with the k-points used (that is k+q must be
equivalent to some other k in the k-points list).Can
anybody please explain more on this sentence to me?
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